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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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GPCR

Name	Parathyroid hormone/parathyroid hormone-related peptide receptor
Species	Homo sapiens (Human)
Gene	PTH1R
Synonym	PTH1 receptor PTHR PTH/PTHrP type I receptor PTH/PTHr receptor PPR Parathyroid hormone 1 receptor PTHR1 [ Show all ]
Disease	N/A
Length	593
Amino acid sequence	MGTARIAPGLALLLCCPVLSSAYALVDADDVMTKEEQIFLLHRAQAQCEKRLKEVLQRPASIMESDKGWTSASTSGKPRKDKASGKLYPESEEDKEAPTGSRYRGRPCLPEWDHILCWPLGAPGEVVAVPCPDYIYDFNHKGHAYRRCDRNGSWELVPGHNRTWANYSECVKFLTNETREREVFDRLGMIYTVGYSVSLASLTVAVLILAYFRRLHCTRNYIHMHLFLSFMLRAVSIFVKDAVLYSGATLDEAERLTEEELRAIAQAPPPPATAAAGYAGCRVAVTFFLYFLATNYYWILVEGLYLHSLIFMAFFSEKKYLWGFTVFGWGLPAVFVAVWVSVRATLANTGCWDLSSGNKKWIIQVPILASIVLNFILFINIVRVLATKLRETNAGRCDTRQQYRKLLKSTLVLMPLFGVHYIVFMATPYTEVSGTLWQVQMHYEMLFNSFQGFFVAIIYCFCNGEVQAEIKKSWSRWTLALDFKRKARSGSSSYSYGPMVSHTSVTNVGPRVGLGLPLSPRLLPTATTNGHPQLPGHAKPGTPALETLETTPPAMAAPKDDGFLNGSCSGLDEEASGPERPPALLQEEWETVM
UniProt	Q03431
Protein Data Bank	6fj3, 3h3g, 3c4m
GPCR-HGmod model	N/A
3D structure model	This structure is from PDB ID 6fj3.
BioLiP	BL0161387, BL0433539,BL0433540, BL0161388, BL0143680,BL0143682, BL0143681,BL0143683
Therapeutic Target Database	N/A
ChEMBL	CHEMBL1793
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL117121
Molecular formula	C16H10F3N3OS
IUPAC name	2-pyridin-4-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
Molecular weight	349.331
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	3.6
Synonyms	ZINC1397252 AKOS005082275 KS-00003251 MolPort-002-858-854 2-(pyridin-4-yl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide SR-01000749700 353726-63-3 HMS1364G22 MCULE-3200931055 1G-351S BDBM50149200 SCHEMBL5146274 2-pyridin-4-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide SR-01000749700-2 AC1LS7RM HMS2640B14 MLS000696114 2-(4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide Bionet2_000154 SMR000333474 2-Pyridin-4-yl-thiazole-4-carboxylic acid (3-trifluoromethyl-phenyl)-amide cid_1483690 [ Show all ]
Inchi Key	AIFPXANKFYDRSD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H10F3N3OS/c17-16(18,19)11-2-1-3-12(8-11)21-14(23)13-9-24-15(22-13)10-4-6-20-7-5-10/h1-9H,(H,21,23)
PubChem CID	1483690
ChEMBL	CHEMBL117121
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Potency	35481.3 nM	PubChem BioAssay data set	ChEMBL

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